N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide

C21H26N4O2 — CID 120603890

IUPACN-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H26N4O2/c22-10-11-23-21(27)18-8-1-2-9-19(18)24-20(26)17-7-5-6-16(14-17)15-25-12-3-4-13-25/h1-2,5-9,14H,3-4,10-13,15,22H2,(H,23,27)(H,24,26)
InChIKeyHQKSULNNFSRHLV-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.22
Rot. Bonds7

About N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide

N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 120603890) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID120603890
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H26N4O2/c22-10-11-23-21(27)18-8-1-2-9-19(18)24-20(26)17-7-5-6-16(14-17)15-25-12-3-4-13-25/h1-2,5-9,14H,3-4,10-13,15,22H2,(H,23,27)(H,24,26)
InChIKeyHQKSULNNFSRHLV-UHFFFAOYSA-N
XLogP2.22
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560740
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120603494
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119503445
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 51230616
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344
N-(3-methoxypropyl)-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43925538
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide (CID 120603890) is N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide is NCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is HQKSULNNFSRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-10-11-23-21(27)18-8-1-2-9-19(18)24-20(26)17-7-5-6-16(14-17)15-25-12-3-4-13-25/h1-2,5-9,14H,3-4,10-13,15,22H2,(H,23,27)(H,24,26).
What are the key properties of N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 120603890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).